N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide

C15H21F3N4O — CID 138036984

IUPACN-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
SMILESCN(C(=O)CCc1ccncn1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O/c1-21(14(23)3-2-12-4-7-19-11-20-12)13-5-8-22(9-6-13)10-15(16,17)18/h4,7,11,13H,2-3,5-6,8-10H2,1H3
InChIKeyKVRABIIJVKXNRN-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.89
Rot. Bonds5

About N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide

N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide (PubChem CID 138036984) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
PubChem CID138036984
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
SMILESCN(C(=O)CCc1ccncn1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O/c1-21(14(23)3-2-12-4-7-19-11-20-12)13-5-8-22(9-6-13)10-15(16,17)18/h4,7,11,13H,2-3,5-6,8-10H2,1H3
InChIKeyKVRABIIJVKXNRN-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
2-Allyl-9-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70710344
7-Isopropyl-2-[4-(trifluoromethyl)pyrimidin-2-YL]-2,7-diazaspiro[4.5]decan-6-one
CID 72871782
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110249232
1-[2-(4-Methylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 110256003
2-Methyl-6-(2-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}ethyl)pyrimidin-4-OL
CID 136185556
N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102139
9-Methyl-3-[4-(trifluoromethyl)pyrimidin-2-YL]-3,9-diazaspiro[5.6]dodecan-10-one
CID 56706376
Ethyl 4-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}piperidine-1-carboxylate
CID 56861108
2-[3-(2-Methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56861551

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide (CID 138036984) is N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide is CN(C(=O)CCc1ccncn1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
The InChIKey is KVRABIIJVKXNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-21(14(23)3-2-12-4-7-19-11-20-12)13-5-8-22(9-6-13)10-15(16,17)18/h4,7,11,13H,2-3,5-6,8-10H2,1H3.
What are the key properties of N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 138036984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).